4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide

C19H16N4O2 — CID 56759193

IUPAC4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide
SMILESCc1cc(-c2cc(-c3ccc(C(N)=O)cc3)c(C#N)c(N)n2)c(C)o1
InChIInChI=1S/C19H16N4O2/c1-10-7-14(11(2)25-10)17-8-15(16(9-20)18(21)23-17)12-3-5-13(6-4-12)19(22)24/h3-8H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyZHNRLDVFXUMWOG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.18
Rot. Bonds3

About 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide

4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide (PubChem CID 56759193) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide
PubChem CID56759193
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide
SMILESCc1cc(-c2cc(-c3ccc(C(N)=O)cc3)c(C#N)c(N)n2)c(C)o1
InChIInChI=1S/C19H16N4O2/c1-10-7-14(11(2)25-10)17-8-15(16(9-20)18(21)23-17)12-3-5-13(6-4-12)19(22)24/h3-8H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyZHNRLDVFXUMWOG-UHFFFAOYSA-N
XLogP3.18
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
CID 56752612
2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 135990715
methyl 4-[6-amino-5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]-5-methylfuran-2-carboxylate
CID 56863797
methyl 4-[2-amino-3-cyano-6-(2,4-dimethylphenyl)-4-pyridinyl]benzoate
CID 3470406
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]pyridine-3-carbonitrile;formic acid
CID 171338719
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
methyl 4-[2-amino-3-cyano-6-(2-nitrophenyl)-4-pyridinyl]benzoate
CID 5229288
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide (CID 56759193) is 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide is Cc1cc(-c2cc(-c3ccc(C(N)=O)cc3)c(C#N)c(N)n2)c(C)o1.
What is the InChIKey of 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide?
The InChIKey is ZHNRLDVFXUMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-10-7-14(11(2)25-10)17-8-15(16(9-20)18(21)23-17)12-3-5-13(6-4-12)19(22)24/h3-8H,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide?
4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 56759193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).